3-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamoylamino]-4-(methoxycarbonylamino)benzoic acid

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamoylamino]-4-(methoxycarbonylamino)benzoic acid Openeye Name: 3-[(2-chloro-4-fluoro-benzoyl)carbamoylamino]-4-(methoxycarbonylamino)benzoic acid CAS Name: 3-[[[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-oxomethyl]amino]-4-(methoxycarbonylamino)benzoic acid IUPAC Name: 3-[(2-chloro-4-fluorobenzoyl)carbamoylamino]-4-(methoxycarbonylamino)benzoic acid Traditional Name: 4-(carbomethoxyamino)-3-[(2-chloro-4-fluoro-benzoyl)carbamoylamino]benzoic acid Formula: C17H13ClFN3O6 MolecularWeight: 409.753023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)NC(=O)C2=C(C=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)NC(=O)C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C17H13ClFN3O6/c1-28-17(27)21-12-5-2-8(15(24)25)6-13(12)20-16(26)22-14(23)10-4-3-9(19)7-11(10)18/h2-7H,1H3,(H,21,27)(H,24,25)(H2,20,22,23,26)